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62581-82-2,MFCD00045267
Catalog No.:AA00EAE1

62581-82-2 | 1-[3-(Chloromethyl)-4-methoxyphenyl]ethan-1-one

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1g
98%
in stock  
$14.00   $10.00
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5g
98%
in stock  
$46.00   $32.00
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25g
98%
in stock  
$168.00   $117.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00EAE1
Chemical Name:
1-[3-(Chloromethyl)-4-methoxyphenyl]ethan-1-one
CAS Number:
62581-82-2
Molecular Formula:
C10H11ClO2
Molecular Weight:
198.6461
MDL Number:
MFCD00045267
SMILES:
ClCc1cc(ccc1OC)C(=O)C
Properties
Computed Properties
 
Complexity:
182  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
3  
XLogP3:
2  

Downstream Synthesis Route

[1]Trave[GazzettaChimicaItaliana,1951,vol.81,p.773,779]

[1]Trave[GazzettaChimicaItaliana,1951,vol.81,p.773,779]

[1]Angyaletal.[JournaloftheChemicalSociety,1950,p.2141,2142,2144]

[1]Agostini,Alessandro;Sancenon,Felix;Martinez-Manez,Ramon;Marcos,MariaD.;Soto,Juan;Amoros,Pedro[Chemistry-AEuropeanJournal,2012,vol.18,#39,p.12218-12221]

[2]Trave[GazzettaChimicaItaliana,1951,vol.81,p.773,779]

[3]Angyaletal.[JournaloftheChemicalSociety,1950,p.2141,2142,2144]

[4]Qiu,Jingying;Chen,Wang;Zhang,Yinpeng;Zhou,Qingqing;Chen,Jing;Yang,Lihua;Gao,Jian;Gu,Xiaoke;Tang,Daoquan[EuropeanJournalofMedicinalChemistry,2019,vol.176,p.41-49]

[5]Qiu,Jingying;Zhou,Qingqing;Zhang,Yinpeng;Guan,Mingyu;Li,Xin;Zou,Yueting;Huang,Xuan;Zhao,Yali;Chen,Wang;Gu,Xiaoke[EuropeanJournalofMedicinalChemistry,2020,vol.205]

[6]Qiu,Jingying;Zou,Yueting;Liu,Qingchuan;Jiang,Chunyu;Zhou,Qingqing;Li,Shuqiong;Chen,Wang;Li,Zheng;Gu,Xiaoke[Chemistryandbiodiversity,2022,vol.19,#2]

[1]Goswami,AmritK.;Borthakur,Naleen;Rastogi,RameshC.;Bhattacharya,PranabR.[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1984,vol.23,#9,p.904-906]

Literature

Title: Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase.

Journal: Journal of medicinal chemistry 20110113

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SDS
Tags:62581-82-2 Molecular Formula|62581-82-2 MDL|62581-82-2 SMILES|62581-82-2 1-[3-(Chloromethyl)-4-methoxyphenyl]ethan-1-one